CID 62830608

3-(chloromethyl)-2,6-dimethylpyridine hydrochloride

Structural Information

Molecular Formula
C8H10ClN
SMILES
CC1=NC(=C(C=C1)CCl)C
InChI
InChI=1S/C8H10ClN/c1-6-3-4-8(5-9)7(2)10-6/h3-4H,5H2,1-2H3
InChIKey
RAVQXKOVEOOOFV-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-2,6-dimethylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

155.05017 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.057446 128.3
[M+Na]+ 178.039388 138.8
[M-H]- 154.042894 130.9
[M+NH4]+ 173.083993 149.5
[M+K]+ 194.013328 135.2
[M+H-H2O]+ 138.047430 123.2
[M+HCOO]- 200.048371 147.2
[M+CH3COO]- 214.064021 177.1
[M+Na-2H]- 176.024836 135.4
[M]+ 155.04962142 131.0
[M]- 155.05071858 131.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe